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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta sliding clamp' and Ligand = 'BDBM50096608'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta sliding clamp


(Escherichia coli (strain K12))
BDBM50096608
PNG
(CHEMBL3577288)
Show SMILES CC(C)C[C@H](NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H25BrN2O5/c1-11(2)7-16(21(28)29)23-19(25)10-24-17-6-4-13(22)9-15(17)14-5-3-12(20(26)27)8-18(14)24/h4,6,9,11-12,16H,3,5,7-8,10H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)/t12-,16+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


J Med Chem 58: 4693-702 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00232
BindingDB Entry DOI: 10.7270/Q2KK9DJ9
More data for this
Ligand-Target Pair
Beta sliding clamp


(Escherichia coli (strain K12))
BDBM50096608
PNG
(CHEMBL3577288)
Show SMILES CC(C)C[C@H](NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H25BrN2O5/c1-11(2)7-16(21(28)29)23-19(25)10-24-17-6-4-13(22)9-15(17)14-5-3-12(20(26)27)8-18(14)24/h4,6,9,11-12,16H,3,5,7-8,10H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)/t12-,16+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


J Med Chem 58: 4693-702 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00232
BindingDB Entry DOI: 10.7270/Q2KK9DJ9
More data for this
Ligand-Target Pair